propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate

C18H16N2O3 — CID 66666595

IUPACpropan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
SMILESCC(C)OC(=O)c1c2ccccc2n2cc(OCC#N)ccc12
InChIInChI=1S/C18H16N2O3/c1-12(2)23-18(21)17-14-5-3-4-6-15(14)20-11-13(22-10-9-19)7-8-16(17)20/h3-8,11-12H,10H2,1-2H3
InChIKeyRPCPOMZVCCMFBX-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.56
Rot. Bonds4

About propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate

propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate (PubChem CID 66666595) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
PubChem CID66666595
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namepropan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
SMILESCC(C)OC(=O)c1c2ccccc2n2cc(OCC#N)ccc12
InChIInChI=1S/C18H16N2O3/c1-12(2)23-18(21)17-14-5-3-4-6-15(14)20-11-13(22-10-9-19)7-8-16(17)20/h3-8,11-12H,10H2,1-2H3
InChIKeyRPCPOMZVCCMFBX-UHFFFAOYSA-N
XLogP3.56
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oct-3-yn-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667757
2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667174
(4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666801
(3-chlorophenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667884
7-(1-cyanopropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylic acid
CID 123477729
hex-3-yn-2-yl 3-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667081
methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
CID 66667117
hept-3-yn-2-yl 3-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667700
methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66667086
pentyl 3-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667599
propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666986
2-hydroxybut-3-enyl 3-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66665871

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate (CID 66666595) is propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate is CC(C)OC(=O)c1c2ccccc2n2cc(OCC#N)ccc12.
What is the InChIKey of propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is RPCPOMZVCCMFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(2)23-18(21)17-14-5-3-4-6-15(14)20-11-13(22-10-9-19)7-8-16(17)20/h3-8,11-12H,10H2,1-2H3.
What are the key properties of propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate?
propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66666595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).